![2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.-hydroxy-10,11-(2',2'-dimethyl)methylenedioxy]-bisabol-7(14)-ene](/api/spectrum/46AxPdyY3IG/structure.png?h=300&w=458 "2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.-hydroxy-10,11-(2',2'-dimethyl)methylenedioxy]-bisabol-7(14)-ene")
| SpectraBase Compound ID | GB8GOEerjI6 |
|---|---|
| InChI | InChI=1S/C30H45ClO9/c1-12-16(3)26(33)37-21(15-23-28(7,8)40-29(9,10)39-23)18(5)20-14-22(31)30(11,35)25(36-19(6)32)24(20)38-27(34)17(4)13-2/h12-13,20-25,35H,5,14-15H2,1-4,6-11H3/b16-12-,17-13-/t20?,21?,22-,23-,24-,25-,30+/m1/s1 |
| InChIKey | JIHYOJNHWUMSKV-CITKRVEBSA-N |
| Mol Weight | 585.1 g/mol |
| Molecular Formula | C30H45ClO9 |
| Exact Mass | 584.275211 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 46AxPdyY3IG |
|---|---|
| Name | 2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.-hydroxy-10,11-(2',2'-dimethyl)methylenedioxy]-bisabol-7(14)-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H45ClO9 |
| InChI | InChI=1S/C30H45ClO9/c1-12-16(3)26(33)37-21(15-23-28(7,8)40-29(9,10)39-23)18(5)20-14-22(31)30(11,35)25(36-19(6)32)24(20)38-27(34)17(4)13-2/h12-13,20-25,35H,5,14-15H2,1-4,6-11H3/b16-12-,17-13-/t20?,21?,22-,23-,24-,25-,30+/m1/s1 |
| InChIKey | JIHYOJNHWUMSKV-CITKRVEBSA-N |
| Molecular Weight | 585.134 g/mol |
| SMILES | O[C@@]1([C@@]([C@@](C(C(C(C[C@]2(OC(C)(C)OC2(C)C)[H])OC(\C(=C/C)C)=O)=C)C[C@]1(Cl)[H])(OC(\C(=C/C)C)=O)[H])(OC(=O)C)[H])C |
| SPLASH | splash10-001i-9000000000-c6624bbd34ab7d4633e1 |
| Source of Spectrum | G4-62-1483-5 |
| Wiley ID | 1608086 |